AG00BY6A

334952-09-9 | 2-oxo-2,3-dihydro-1H-indole-6-carboxylic acid

AG00BY6A

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CAS Number	334952-09-9
Catalog Number	AG00BY6A(AGN-PC-0LXPHG)
Chemical Name	2-oxo-2,3-dihydro-1H-indole-6-carboxylic acid
IUPAC Name	2-oxo-1,3-dihydroindole-6-carboxylic acid
InChI	InChI=1S/C9H7NO3/c11-8-4-5-1-2-6(9(12)13)3-7(5)10-8/h1-3H,4H2,(H,10,11)(H,12,13)
InChI Key	IIKVTJWRBSYRSA-UHFFFAOYSA-N
MDL Number	MFCD01415801
Molecular Formula	C9H7NO3
Molecular Weight	177.1568
SMILES	O=C(C1=CC2=C(C=C1)CC(N2)=O)O
Synonyms	334952-09-9, 2-oxoindoline-6-carboxylic acid, 6-Carboxyoxindole, 2-Oxo-indoline-6-carboxylic Acid, 2-Oxo-2,3-dihydro-1H-indole-6-carboxylic acid, 1H-Indole-6-carboxylic acid, 2,3-dihydro-2-oxo-, 2-OXINDOLE-6-CARBOXYLIC ACID, 2-oxo-1,3-dihydroindole-6-carboxylic Acid, PubChem8938, ACMC-209i1f, AC1OHM54, SCHEMBL398818, 2-indolinone-6-carboxylic acid, Jsp006133, CTK1C6070, DTXSID90428451, IIKVTJWRBSYRSA-UHFFFAOYSA-N, OXINDOLE-6-CARBOXYLIC ACID, KS-000003LD, ZINC4369346, ANW-27649, CO-130, MFCD01415801, AKOS006227914, AC-3294, PB19919, QC-9783, RTR-014012, AJ-50923, AK-82846, DS-16945, SC-03569, SY004611, AB0043732, AB1000154, DB-081972, TR-014012, FT-0656510, ST24040987, Z1657, O57004, Q-3059, MFCD01415801 (97+%), 1H-Indole-6-carboxylicacid, 2,3-dihydro-2-oxo-, A821796, 2-oxidanylidene-1,3-dihydroindole-6-carboxylic acid, Q-102620, 2-Oxo-2,3-dihydro-1H-indole-6-carboxylic acid, AldrichCPR, null, C9H7NO3, CID7213323, 2-OXO-2,3-DIHYDRO-1H-INDOLE-6-CARBOXYLICACID,

Complexity	251
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	177.043g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	177.159g/mol
Monoisotopic Mass	177.043g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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